Volume 1030; Issue none

Main
Journal of Molecular Structure
Volume 1030; Issue none

Journal of Molecular Structure

Volume 1030; Issue none

1

Molecular structures of tetrabromothiophene and -selenophene as determined by gas-phase electron diffraction and high-level quantum chemical calculations

Yuriy A. Zhabanov, Christophe M.L. Vande Velde, Frank Blockhuys, Sergey A. Shlykov

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 463 KB

english, 2012

2

Synthesis, spectroscopic, thermal and antimicrobial investigations of charge-transfer complexes formed from the drug procaine hydrochloride with quinol, picric acid and TCNQ

Abdel Majid A. Adam

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.29 MB

english, 2012

3

ESIPT may proceed in 3HF at excitation in S2 state

V.I. Tomin, R. Jaworski

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 257 KB

english, 2012

4

Experimental and computational studies on the average molecular structure of Chinese Huadian oil shale kerogen

Xin Ru, Zhiqiang Cheng, Lihua Song, Hongyan Wang, Junfeng Li

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 817 KB

english, 2012

5

2-Quinolinecarboxaldehyde: Polymorphic behavior of a small rigid molecule

Teresa M.R. Maria, M. Ermelinda S. Eusébio, J. Almeida e Silva, Abílio J.F.N. Sobral, C. Cardoso, J.A. Paixão, M. Ramos Silva

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 2.28 MB

english, 2012

6

A new Mo/V-oxide-based cationic species templated by Keggin polyoxotungstates (4-) and its catalytic activity in benzene hydroxylation

Qing Wu, Hua Yang, Hong-Wei Cheng, Zhi-Guang Liu, Wan-Sheng You, Shuang Gao

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.11 MB

english, 2012

7

Synthesis, crystal structure, vibrational spectral and density functional studies of 4-(1,3-dioxoisoindolin-2-yl)antipyrine

Zongxue Yu, Gang Sun, Zengwei Liu, Cheng Yu, Changliang Huang, Yuxi Sun

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.17 MB

english, 2012

8

Optical and FTIR spectra of NdF3-doped borophosphate glasses and effect of gamma irradiation

F.H. ElBatal, S. Ibrahim, A.M. Abdelghany

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 411 KB

english, 2012

9

Picosecond dynamics from lanthanide chloride melts

Angelos G. Kalampounias

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 478 KB

english, 2012

10

Structure of 1:1 complex of 1-naphthylmethyl ester of monensin A with sodium perchlorate studied by X-ray, FT-IR and ab initio methods

Adam Huczyński, Jan Janczak, Bogumil Brzezinski

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.55 MB

english, 2012

11

Syntheses, structures, and properties of two luminous mercury(II) halide compounds containing a tetradentate N-donor Schiff base

Smita Satapathi, Soumi Chattopadhyay, Subhasis Roy, Kishalay Bhar, Partha Mitra, Barindra Kumar Ghosh

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 934 KB

english, 2012

12

Synthesis and characterization of a new iron phosphate KSrFe2(PO4)3 with a langbeinite type structure

Mourad Hidouri, María Luisa López, Carlos Pico, Alain Wattiaux, Mongi Ben Amara

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 663 KB

english, 2012

13

Structural investigations of the axially ligated beryllium phthalocyanine derivatives

Jan Janczak, Ryszard Kubiak

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.14 MB

english, 2012

14

Structural and vibrational studies on (E)-2-(2-hydroxy benzyliden amino)-3-phenyl propionic acid using experimental and DFT methods

H. Saleem, Y. Erdogdu, S. Subashchandrabose, V. Thanikachalam, J. Jayabharathi, N. Ramesh Babu

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.03 MB

english, 2012

15

Experimental and theoretical approaches to [1,5]-prototropic generation of an azomethine ylide and a 1,3-dipolar cycloaddition for novel spiropyrrolidine oxindoles synthesis

Yaghoub Sarrafi, Mahshid Hamzehloueian, Kamal Alimohammadi, Saeid Yeganegi

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1003 KB

english, 2012

16

Synthesis, structure and properties of the first inorganic framework Ba(II) perchlorate polymer with organic template

Yan-Hong Yu, Kun Qian, Yao-Hui Ye

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.57 MB

english, 2012

17

Centrosymmetric dimer of quinuclidine betaine and squaric acid complex

Z. Dega-Szafran, A. Katrusiak, M. Szafran

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 744 KB

english, 2012

18

Spectroscopic (FTIR, FT-Raman, NMR and UV) and molecular structure investigations of 1,5-diphenylpenta-1,4-dien-3-one: A combined experimental and theoretical study

S. Sudha, N. Sundaraganesan, K. Vanchinathan, K. Muthu, SP. Meenakshisundaram

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.46 MB

english, 2012

19

Structure determination, electronic and optical properties of rubidium holmium polyphosphate RbHo(PO3)4

Jing Zhu, Hui Chen, Yude Wang, Hongtao Guan, Xuechun Xiao

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 705 KB

english, 2012

20

Ordering the amorphous – Structures in PBD LED materials

Franziska Emmerling, Ingo Orgzall, Birgit Dietzel, Burkhard Schulz, Julen Larrucea

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 616 KB

english, 2012

21

Structure-based predictions of 13C-NMR chemical shifts for a series of 2-functionalized 5-(methylsulfonyl)-1-phenyl-1H-indoles derivatives using GA-based MLR method

Raouf Ghavami, Faridoon Sadeghi, Zolikha Rasouli, Farhad Djannati

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 480 KB

english, 2012

22

Structure of 5-benzoyl-4-phenyl-2-chloropyrimidine studied by X-ray diffraction, DFT calculations, NMR and FT-IR spectra

Ersin İnkaya, Muharrem Dinçer, Emine Şahan, İsmail Yıldırım, Orhan Büyükgüngör

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.09 MB

english, 2012

23

Investigation of the structure changes and properties of stretched mohair fibre

A.J. Zhou, H.L. Liu, W.D. Yu, C.M. Carr

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 530 KB

english, 2012

24

Tautomeric stability, vibrational, electronic, NBO, and NMR analyses of N-[acetylamino-(3-nitrophenyl)methyl]-acetamide (ANPMA) by ab initio HF and DFT calculations

C. Sridevi, N. Panneer Selvam, G. Shanthi, G. Velraj

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 957 KB

english, 2012

25

Synthesis, characterization, DNA interaction and in vitro cytotoxicity activities of ruthenium(II) Schiff base complexes

Subbaiyan Sathiyaraj, Ray J. Butcher, Chinnasamy Jayabalakrishnan

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 831 KB

english, 2012

26

Synthesis and luminescent properties of Tb(III) complex with a novel pyrazolone ligand and its interaction with bovine serum albumin

Zhengfa Yang, Ruiren Tang, Zhenfeng Zhang

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 755 KB

english, 2012

27

Crystallization of Mo–EDTA complex based solids: Molecular insights

Dinesh Kumar, Monika Singh, Arunachalam Ramanan

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 844 KB

english, 2012

28

Corrigendum to “A novel crystallographic and improved computational study of three ligands of lead ion complex” [J. Mol. Struct. 892 (2008) 231–238]

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 144 KB

english, 2012

29

Editorial board

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 27 KB

english, 2012